Glycoside
GD001729
Name:
NoneFormula:
C20H23O7N5PClSmiles:
O=P(O)(O)CCOC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COCCP(=O)(O)O.Clc1nc2c(c(NCc3ccccc3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 499.85 | Num_heavy_atoms: | 33 |
| TPSA: | 172.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD01701
Formula: C3H9O4P
Smiles:
COCCP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 140.07 | Num_heavy_atoms: | 8 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD01702
Formula: C13H9N5Cl
Smiles:
Clc1nc2c(c(NCc3ccccc3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.69 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
